Vitas-M small molecule compound

methyl 4-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK743414
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nccn1C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C14H15N3O3S MW 305.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O3S/c1-17-8-7-15-14(17)21-9-12(18)16-11-5-3-10(4-6-11)13(19)20-2/h3-8H,9H2,1-2H3,(H,16,18)
InChIKey
CPLHOEQQKOZHLN-UHFFFAOYSA-N
Synonyms

BENZOICACID4((1METHYL2IMIDAZOLYLTHIO)ACETYL)METHYLESTER
BENZOICACID4((2((1METHYL1HIMIDAZOL2YL)THIO)ACETYL)AMINO)METHYLESTER
CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC
InChI=1SC14H15N3O3Sc117871514(17)21912(18)16115310(4611)13(19)202h38H9H212H3(H1618)
methyl4((((1methyl1Himidazol2yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2(1METHYLIMIDAZOL2YL)SULFANYLACETYL)AMINO)BENZOATE
METHYL4(2(1METHYLIMIDAZOL2YLTHIO)ACETYLAMINO)BENZOATE
MFCD02612738
ZINC000000128309
ZINC00128309
ZINC128309

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.